#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b9d s LYS 43 N 0.00 4.12 0.11 3.17 1.02 -1.26 -4.38 119.74 122.51 2b9d s LYS 43 Ca 0.00 2.12 0.03 0.00 0.02 0.00 0.00 55.97 58.13 2b9d s LYS 43 Cb 0.00 -2.85 -0.04 0.00 -0.52 0.00 0.00 37.83 34.42 2b9d s LYS 43 CO 0.00 -0.36 -0.08 1.14 -0.92 0.00 0.00 175.35 175.14 2b9d s GLN 44 N -2.09 0.90 0.32 1.68 -2.07 -0.27 -4.83 119.66 113.30 2b9d s GLN 44 Ca 0.54 -1.35 -0.29 0.00 -1.82 0.00 0.00 55.36 52.44 2b9d s GLN 44 Cb -0.37 -0.35 -0.11 0.00 -1.09 0.00 0.00 33.01 31.09 2b9d s GLN 44 CO 0.48 0.02 1.44 -2.14 -1.32 0.00 0.00 175.29 173.77 2b9d s PRO 45 N -3.72 4.22 -0.01 9.60 0.02 -1.26 -1.48 135.00 142.37 2b9d s PRO 45 Ca 0.13 2.41 -0.02 0.00 0.02 0.00 0.00 61.00 63.54 2b9d s PRO 45 Cb 0.04 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.52 2b9d s PRO 45 CO -0.03 -0.42 0.05 -0.47 -0.33 0.00 0.00 177.00 175.79 2b9d s TYR 46 N -0.73 -0.02 -0.42 6.54 5.04 0.41 -4.92 117.35 123.26 2b9d s TYR 46 Ca 0.55 0.05 -0.18 0.00 -2.44 0.00 0.00 57.07 55.04 2b9d s TYR 46 Cb -0.44 -0.01 0.02 0.00 0.35 0.00 0.00 41.96 41.88 2b9d s TYR 46 CO 0.54 -0.06 0.47 0.00 -1.34 0.00 0.00 175.55 175.16 2b9d s ALA 47 N -0.21 3.42 -0.17 3.97 0.00 -1.26 -0.90 121.76 126.60 2b9d s ALA 47 Ca -0.03 -1.43 -0.25 0.00 0.00 0.00 0.00 51.96 50.26 2b9d s ALA 47 Cb -0.02 -3.09 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 2b9d s ALA 47 CO 0.00 -1.59 0.81 0.08 0.00 0.00 0.00 175.76 175.06 2b9d s VAL 48 N 2.26 4.90 -0.13 0.00 1.01 0.69 -4.93 120.40 124.20 2b9d s VAL 48 Ca 0.14 1.58 0.01 0.00 0.00 0.00 0.00 61.98 63.71 2b9d s VAL 48 Cb -0.16 -4.11 0.02 0.00 0.00 0.00 0.00 36.38 32.12 2b9d s VAL 48 CO 0.14 0.03 -0.16 -0.69 0.00 0.00 0.00 175.10 174.43 2b9d s VAL 49 N 2.14 1.59 0.04 2.92 1.01 -1.26 -0.84 120.40 126.00 2b9d s VAL 49 Ca 0.37 -0.68 -0.20 0.00 0.00 0.00 0.00 61.98 61.47 2b9d s VAL 49 Cb -0.16 -1.46 0.04 0.00 0.00 0.00 0.00 36.38 34.80 2b9d s VAL 49 CO 0.12 0.46 0.46 0.00 0.00 0.00 0.00 175.10 176.14 2b9d s ALA 50 N 1.13 -1.16 0.17 5.51 0.00 -0.65 -4.95 121.76 121.81 2b9d s ALA 50 Ca -0.03 0.47 -0.30 0.00 0.00 0.00 0.00 51.96 52.11 2b9d s ALA 50 Cb -0.14 0.33 -0.08 0.00 0.00 0.00 0.00 23.12 23.23 2b9d s ALA 50 CO -0.05 -0.46 1.14 -1.54 0.00 0.00 0.00 175.76 174.86 2b9d s SER 51 N -1.91 7.19 0.24 0.00 1.04 -1.26 -0.28 113.70 118.71 2b9d s SER 51 Ca -0.06 2.14 -0.31 0.00 0.48 0.00 0.00 55.95 58.19 2b9d s SER 51 Cb -0.01 -2.60 -0.14 0.00 0.10 0.00 0.00 66.02 63.37 2b9d s SER 51 CO -0.01 -0.29 1.33 0.00 0.98 0.00 0.00 173.24 175.25 2b9d h ALA 53 N 3.81 2.20 0.00 0.00 0.00 -1.27 -0.66 119.26 123.34 2b9d h ALA 53 Ca -0.44 0.04 -0.32 0.00 0.00 0.00 0.00 54.91 54.18 2b9d h ALA 53 Cb 1.29 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 2b9d h ALA 53 CO 0.73 -0.54 -2.05 0.66 0.00 0.00 0.00 179.25 178.05 2b9d n TYR 54 N -4.57 0.00 0.91 0.00 4.01 -1.26 -4.65 117.16 111.60 2b9d n TYR 54 Ca 0.22 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 58.06 2b9d n TYR 54 Cb 0.77 -0.77 -0.02 0.00 -0.31 0.00 0.00 39.34 39.02 2b9d n TYR 54 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2b9d n GLU 56 N -0.21 0.00 -2.21 0.00 2.13 -0.25 -4.91 120.64 115.19 2b9d n GLU 56 Ca 0.08 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.55 2b9d n GLU 56 Cb 0.41 -3.01 0.01 0.00 0.27 0.00 0.00 31.44 29.12 2b9d n GLU 56 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2b9d s LYS 57 N -0.26 3.30 0.13 5.31 2.20 -1.26 -3.91 119.74 125.25 2b9d s LYS 57 Ca 0.00 1.58 -0.30 0.00 -0.36 0.00 0.00 55.97 56.89 2b9d s LYS 57 Cb 0.00 -2.00 -0.07 0.00 -1.51 0.00 0.00 37.83 34.25 2b9d s LYS 57 CO 0.00 -0.89 1.25 -0.51 -0.36 0.00 0.00 175.35 174.84 2b9d s LEU 58 N -3.92 4.40 -0.10 5.43 1.02 -1.26 0.19 118.68 124.44 2b9d s LEU 58 Ca 0.72 2.20 0.03 0.00 0.02 0.00 0.00 54.13 57.09 2b9d s LEU 58 Cb -0.23 -3.59 -0.01 0.00 0.02 0.00 0.00 46.19 42.38 2b9d s LEU 58 CO 0.28 -0.48 -0.20 -0.69 0.02 0.00 0.00 176.35 175.28 2b9d s VAL 59 N 0.58 2.41 -0.12 -1.59 1.01 0.61 -4.89 120.40 118.42 2b9d s VAL 59 Ca 0.58 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 2b9d s VAL 59 Cb -0.33 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 2b9d s VAL 59 CO 0.33 0.55 -0.05 -0.60 0.00 0.00 0.00 175.10 175.33 2b9d s ARG 60 N 0.24 3.34 0.06 2.72 3.52 -1.26 -1.64 118.95 125.94 2b9d s ARG 60 Ca -0.13 -0.53 0.05 0.00 -0.13 0.00 0.00 55.73 54.99 2b9d s ARG 60 Cb -0.17 -2.79 -0.03 0.00 -1.56 0.00 0.00 34.95 30.41 2b9d s ARG 60 CO 0.07 0.39 -0.15 -0.51 -0.81 0.00 0.00 175.30 174.29 2b9d s LEU 61 N -0.06 2.25 -0.05 -0.88 1.43 -0.02 -4.99 118.68 116.37 2b9d s LEU 61 Ca 0.01 -0.58 -0.15 0.00 -1.03 0.00 0.00 54.13 52.39 2b9d s LEU 61 Cb -0.13 -0.58 -0.05 0.00 0.03 0.00 0.00 46.19 45.46 2b9d s LEU 61 CO 0.03 -0.03 0.39 -0.89 0.23 0.00 0.00 176.35 176.08 2b9d s THR 62 N -1.14 5.11 0.16 5.49 2.01 -1.26 -0.22 115.64 125.80 2b9d s THR 62 Ca -0.00 0.79 0.05 0.00 0.31 0.00 0.00 61.69 62.83 2b9d s THR 62 Cb -0.09 -3.70 -0.05 0.00 0.01 0.00 0.00 72.50 68.67 2b9d s THR 62 CO 0.02 0.52 -0.09 0.68 -0.69 0.00 0.00 174.62 175.06 2b9d s VAL 63 N -0.61 1.19 -0.19 3.82 -7.23 -0.08 -4.97 120.40 112.34 2b9d s VAL 63 Ca 0.23 -2.07 -0.03 0.00 -1.81 0.00 0.00 61.98 58.29 2b9d s VAL 63 Cb -0.16 -1.93 -0.02 0.00 0.56 0.00 0.00 36.38 34.84 2b9d s VAL 63 CO 0.11 -0.68 -0.05 -0.76 -0.31 0.00 0.00 175.10 173.41 2b9d s LEU 64 N -3.20 2.98 -0.05 1.32 1.02 -1.26 -0.44 118.68 119.04 2b9d s LEU 64 Ca 0.19 -0.31 -0.10 0.00 0.02 0.00 0.00 54.13 53.93 2b9d s LEU 64 Cb 0.03 -1.74 0.02 0.00 0.02 0.00 0.00 46.19 44.52 2b9d s LEU 64 CO 0.02 0.06 0.25 0.00 0.02 0.00 0.00 176.35 176.69 2b9d s ALA 65 N 1.03 -0.61 0.79 4.21 0.00 -0.55 -4.84 121.76 121.79 2b9d s ALA 65 Ca 0.01 0.44 -0.11 0.00 0.00 0.00 0.00 51.96 52.30 2b9d s ALA 65 Cb -0.15 -0.18 0.08 0.00 0.00 0.00 0.00 23.12 22.87 2b9d s ALA 65 CO 0.00 -0.18 1.14 0.16 0.00 0.00 0.00 175.76 176.88 2b9d s ASP 66 N -0.57 4.53 0.22 0.00 3.84 -1.26 -1.12 116.67 122.33 2b9d s ASP 66 Ca -0.07 0.66 -0.08 0.00 -0.00 0.00 0.00 52.55 53.07 2b9d s ASP 66 Cb -0.04 -1.18 0.28 0.00 -1.38 0.00 0.00 42.92 40.60 2b9d s ASP 66 CO 0.02 -1.85 1.83 0.45 -0.00 0.00 0.00 175.17 175.62 2b9d h HIS 67 N -0.95 0.85 -0.10 2.11 3.86 -1.99 -2.00 115.15 116.93 2b9d h HIS 67 Ca -0.45 0.03 -0.24 0.00 -1.16 0.00 0.00 60.37 58.55 2b9d h HIS 67 Cb 1.32 -0.27 0.01 0.00 1.06 0.00 0.00 27.41 29.54 2b9d h HIS 67 CO 0.25 0.43 -0.86 0.77 0.86 0.00 0.00 177.93 179.38 2b9d h SER 68 N 0.85 0.92 -0.65 2.45 0.02 -1.98 -2.35 113.55 112.80 2b9d h SER 68 Ca 0.33 -0.67 -0.00 0.00 -0.84 0.00 0.00 61.79 60.61 2b9d h SER 68 Cb 0.16 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 2b9d h SER 68 CO -0.17 1.45 0.41 0.00 -1.14 0.00 0.00 176.83 177.39 2b9d h ALA 69 N 0.49 1.48 -0.11 3.77 0.00 -1.84 -0.48 119.26 122.56 2b9d h ALA 69 Ca -0.08 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2b9d h ALA 69 Cb 1.50 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2b9d h ALA 69 CO 0.17 0.46 -0.05 0.97 0.00 0.00 0.00 179.25 180.81 2b9d h ILE 70 N 0.90 1.31 -0.87 0.00 6.09 -1.26 -0.31 117.51 123.37 2b9d h ILE 70 Ca 0.24 -1.05 0.03 0.00 -1.37 0.00 0.00 64.86 62.71 2b9d h ILE 70 Cb -0.06 1.77 -0.05 0.00 0.47 0.00 0.00 36.82 38.96 2b9d h ILE 70 CO -0.05 0.30 0.58 0.08 -3.07 0.00 0.00 178.15 175.99 2b9d h ARG 71 N -0.11 1.09 -0.09 2.19 0.11 -1.21 -0.77 114.38 115.59 2b9d h ARG 71 Ca 0.03 -0.07 -0.03 0.00 0.10 0.00 0.00 59.98 60.01 2b9d h ARG 71 Cb 0.49 -0.25 -0.00 0.00 1.11 0.00 0.00 29.97 31.32 2b9d h ARG 71 CO 0.02 0.72 -0.05 0.37 0.10 0.00 0.00 179.97 181.12 2b9d h GLN 72 N 1.12 0.19 -0.94 0.08 4.15 -0.97 -0.58 115.11 118.17 2b9d h GLN 72 Ca 0.34 -0.09 0.02 0.00 0.77 0.00 0.00 58.65 59.69 2b9d h GLN 72 Cb -0.03 -0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.61 2b9d h GLN 72 CO -0.09 0.57 0.61 1.25 -1.93 0.00 0.00 178.83 179.24 2b9d h LEU 73 N -0.19 1.04 -0.44 -2.39 5.85 -0.74 0.58 115.31 119.03 2b9d h LEU 73 Ca 0.02 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 2b9d h LEU 73 Cb 0.51 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2b9d h LEU 73 CO 0.01 0.74 -0.11 -0.33 -0.34 0.00 0.00 178.44 178.41 2b9d h GLU 74 N 1.22 0.85 -0.64 1.25 4.39 -1.01 -1.52 114.58 119.13 2b9d h GLU 74 Ca 0.36 -0.33 0.08 0.00 0.34 0.00 0.00 59.36 59.81 2b9d h GLU 74 Cb -0.07 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.47 2b9d h GLU 74 CO -0.10 0.96 0.30 0.93 -1.16 0.00 0.00 179.01 179.95 2b9d h GLU 75 N 0.68 0.53 -0.38 2.33 5.08 -0.77 -3.02 114.58 119.03 2b9d h GLU 75 Ca 0.11 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 2b9d h GLU 75 Cb 0.65 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 2b9d h GLU 75 CO 0.04 0.35 -0.02 0.52 -1.00 0.00 0.00 179.01 178.91 2b9d h MET 76 N 0.55 0.60 0.00 2.33 2.86 -0.39 -2.77 114.93 118.11 2b9d h MET 76 Ca 0.30 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 2b9d h MET 76 Cb 0.29 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.87 2b9d h MET 76 CO -0.24 0.64 0.00 1.28 1.06 0.00 0.00 176.91 179.65 2b9d n LEU 77 N -4.25 0.63 -0.04 1.22 4.77 -0.62 -1.00 117.00 117.71 2b9d n LEU 77 Ca 0.02 0.62 -0.09 0.00 -0.03 0.00 0.00 56.01 56.52 2b9d n LEU 77 Cb 0.27 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 2b9d n LEU 77 CO 0.40 -0.40 0.66 0.25 -1.33 0.00 0.00 177.39 176.97 2b9d h LEU 78 N 0.00 -0.96 0.00 2.23 7.12 -1.47 -3.44 115.31 118.79 2b9d h LEU 78 Ca 0.00 0.15 0.00 0.00 0.13 0.00 0.00 57.88 58.16 2b9d h LEU 78 Cb 0.47 0.43 0.00 0.00 -0.53 0.00 0.00 40.66 41.03 2b9d h LEU 78 CO 0.00 -0.33 0.00 0.54 -0.13 0.00 0.00 178.44 178.52 2b9d n ARG 79 N -5.40 0.00 0.09 1.25 1.74 -1.07 -4.96 116.66 108.31 2b9d n ARG 79 Ca -0.02 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.18 2b9d n ARG 79 Cb 0.32 -0.34 0.01 0.00 -1.02 0.00 0.00 32.46 31.43 2b9d n ARG 79 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2b9d n SER 80 N -1.51 0.80 -3.86 0.55 3.41 -0.23 -4.84 113.62 107.94 2b9d n SER 80 Ca 0.00 0.27 -0.16 0.00 -0.26 0.00 0.00 58.87 58.73 2b9d n SER 80 Cb 0.00 0.48 -0.15 0.00 -0.26 0.00 0.00 64.21 64.27 2b9d n SER 80 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2b9d s LEU 81 N -5.15 1.54 -0.01 1.04 2.96 -0.17 -5.01 118.68 113.88 2b9d s LEU 81 Ca 0.00 -0.03 0.05 0.00 -0.22 0.00 0.00 54.13 53.93 2b9d s LEU 81 Cb 0.10 -0.18 -0.01 0.00 0.50 0.00 0.00 46.19 46.60 2b9d s LEU 81 CO 0.79 -0.04 -0.17 0.20 -1.32 0.00 0.00 176.35 175.80 2b9d s ASN 82 N 0.54 2.02 0.56 3.68 0.01 -1.26 -4.20 114.94 116.29 2b9d s ASN 82 Ca -0.05 -0.34 0.02 0.00 -0.71 0.00 0.00 52.86 51.78 2b9d s ASN 82 Cb -0.08 -0.22 0.05 0.00 0.41 0.00 0.00 41.25 41.41 2b9d s ASN 82 CO -0.01 0.20 0.79 0.27 -1.51 0.00 0.00 177.10 176.83 2b9d s ILE 83 N -0.46 2.59 -0.00 0.60 -4.36 -1.26 -4.84 121.20 113.47 2b9d s ILE 83 Ca 0.06 -0.70 0.02 0.00 -0.26 0.00 0.00 60.65 59.77 2b9d s ILE 83 Cb -0.07 -2.89 -0.00 0.00 1.25 0.00 0.00 42.46 40.75 2b9d s ILE 83 CO -0.00 0.00 -0.05 -0.69 0.24 0.00 0.00 174.94 174.43 2b9d s VAL 84 N -2.77 0.41 0.79 8.37 1.01 -1.26 -0.76 120.40 126.18 2b9d s VAL 84 Ca 0.59 -0.24 -0.11 0.00 0.00 0.00 0.00 61.98 62.22 2b9d s VAL 84 Cb -0.09 -0.35 0.07 0.00 0.00 0.00 0.00 36.38 36.00 2b9d s VAL 84 CO 0.39 0.11 1.09 0.00 0.00 0.00 0.00 175.10 176.68 2b9d h PRO 86 N -1.08 1.15 0.18 0.00 0.11 -1.99 -0.76 132.00 129.61 2b9d h PRO 86 Ca -0.47 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 2b9d h PRO 86 Cb 1.26 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2b9d h PRO 86 CO 0.58 0.76 -0.09 1.25 -0.21 0.00 0.00 178.00 180.29 2b9d h LEU 87 N 1.18 -0.21 -1.54 2.35 5.85 -1.99 -2.11 115.31 118.84 2b9d h LEU 87 Ca 0.43 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.91 2b9d h LEU 87 Cb 0.16 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2b9d h LEU 87 CO -0.17 0.12 0.01 0.00 -0.34 0.00 0.00 178.44 178.05 2b9d h THR 89 N 0.29 1.19 -0.01 0.00 2.02 -1.06 -3.11 112.91 112.24 2b9d h THR 89 Ca 0.07 -0.60 -0.16 0.00 0.77 0.00 0.00 66.41 66.49 2b9d h THR 89 Cb 0.19 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 2b9d h THR 89 CO 0.00 0.18 -0.74 -0.07 0.37 0.00 0.00 175.52 175.26 2b9d h LEU 90 N 0.02 0.10 -2.33 2.58 3.38 -0.87 -1.89 115.31 116.29 2b9d h LEU 90 Ca 0.04 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.96 2b9d h LEU 90 Cb 0.25 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 2b9d h LEU 90 CO -0.00 0.80 0.08 1.56 0.09 0.00 0.00 178.44 180.97 2b9d h GLN 91 N 0.05 0.00 -0.01 1.13 4.20 -1.06 -2.94 115.11 116.48 2b9d h GLN 91 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2b9d h GLN 91 Cb 1.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.09 2b9d h GLN 91 CO 0.10 0.00 -0.08 0.54 -0.67 0.00 0.00 178.83 178.72 2b9d n ARG 92 N -3.92 1.12 0.00 1.46 1.74 -0.74 -5.10 116.66 111.21 2b9d n ARG 92 Ca -0.01 -0.95 0.15 0.00 -0.77 0.00 0.00 57.85 56.27 2b9d n ARG 92 Cb 0.18 -1.17 0.82 0.00 -1.02 0.00 0.00 32.46 31.27 2b9d n ARG 92 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15